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Namodenoson (CF-102) 25mg

CAT: 0628-A14402-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A14402-25Size:25 mg
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CAS Number
163042-96-4

Chemical Information

Namodenoson

Namodenoson has been used in trials studying the treatment of Chronic Hepatitis C and Hepatocellular Carcinoma.

CAS Number163042-96-4
PubChem CID3035850
IUPAC Name(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
Molecular FormulaC18H18ClIN6O4
Molecular Weight544.7
XLogP1.9
Topological Polar Surface Area134
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity623
SMILES
CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)Cl)NCC4=CC(=CC=C4)I)O)O
InChI
InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
InChIKey
IPSYPUKKXMNCNQ-PFHKOEEOSA-N
Chemical Structure
2D Structure
2D structure of Namodenoson
CAS: 163042-96-4
CID: 3035850
Formula: C18H18ClIN6O4
MW: 544.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight544.7
XLogP31.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass544.01228
Monoisotopic Mass544.01228
Topological Polar Surface Area134 Ų
Heavy Atom Count30
Formal Charge0
Complexity623
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
C07214-01Namodenoson (CF-102)
MBS3840347-01CF-102
HY-12365-01Namodenoson
AR-N08267-01Namodenoson-d6
HY-12365R-01Namodenoson (Standard)
AR-N08268-01Namodenoson-13C-d3
3215-MF-050Recombinant Mouse CX3CL1/Fractalkine (aa 29-102) CF
C1042-100SM-102
BA9220-10LSZ-102
BA3118-5EL-102

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